1H-imidazol-2-yl(piperidin-1-yl)methanone

C9H13N3O — CID 54177693

IUPAC1H-imidazol-2-yl(piperidin-1-yl)methanone
SMILESO=C(c1ncc[nH]1)N1CCCCC1
InChIInChI=1S/C9H13N3O/c13-9(8-10-4-5-11-8)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,10,11)
InChIKeyOZOZNHYGWJIUFA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.04
Rot. Bonds1

About 1H-imidazol-2-yl(piperidin-1-yl)methanone

1H-imidazol-2-yl(piperidin-1-yl)methanone (PubChem CID 54177693) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 1H-imidazol-2-yl(piperidin-1-yl)methanone.

Molecular Properties

Compound Name1H-imidazol-2-yl(piperidin-1-yl)methanone
PubChem CID54177693
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name1H-imidazol-2-yl(piperidin-1-yl)methanone
SMILESO=C(c1ncc[nH]1)N1CCCCC1
InChIInChI=1S/C9H13N3O/c13-9(8-10-4-5-11-8)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,10,11)
InChIKeyOZOZNHYGWJIUFA-UHFFFAOYSA-N
XLogP1.04
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl(piperidin-1-yl)methanone?
The IUPAC name of 1H-imidazol-2-yl(piperidin-1-yl)methanone (CID 54177693) is 1H-imidazol-2-yl(piperidin-1-yl)methanone.
What is the SMILES notation for 1H-imidazol-2-yl(piperidin-1-yl)methanone?
The canonical SMILES for 1H-imidazol-2-yl(piperidin-1-yl)methanone is O=C(c1ncc[nH]1)N1CCCCC1.
What is the InChIKey of 1H-imidazol-2-yl(piperidin-1-yl)methanone?
The InChIKey is OZOZNHYGWJIUFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c13-9(8-10-4-5-11-8)12-6-2-1-3-7-12/h4-5H,1-3,6-7H2,(H,10,11).
What are the key properties of 1H-imidazol-2-yl(piperidin-1-yl)methanone?
1H-imidazol-2-yl(piperidin-1-yl)methanone has a molecular weight of 179.22 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl(piperidin-1-yl)methanone is sourced from PubChem (CID 54177693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).